UCSF

ZINC09086065

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.30 11.11 -52.47 0 4 -1 60 447.736 6
Mid Mid (pH 6-8) 4.72 10.68 -20.29 0 4 0 54 448.744 6
Mid Mid (pH 6-8) 5.75 9.69 -26.41 1 4 0 58 448.744 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )